Compound Detail
CHEMBL106869
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Basic Information
| ChEMBL ID | CHEMBL106869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHAPLXCLVYRXBM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
450.6
MW (Da)
2.64
ALogP
4
HBA
3
HBD
116.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypsin II CHEMBL4472 | Ki | 6.36 | 6.36 | 440.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 4.92 | 4.92 | 12000.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 4.14 | 4.14 | 73000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypsin II | Ki | = | 440.0 | nM | 6.36 | Tested for inhibition of trypsin | 10560742 |
| Plasminogen | Ki | = | 12000.0 | nM | 4.92 | Tested for inhibition of plasmin | 10560742 |
| Urokinase-type plasminogen activator | Ki | = | 73000.0 | nM | 4.14 | Compound was tested for inhibition of plasminogen activator urokinase (microPa). | 10560742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10560742 | 10.1016/s0960-894x(99)00541-7 | Urokinase-type plasminogen activator | 1 |
| 10560742 | 10.1016/s0960-894x(99)00541-7 | Plasminogen | 1 |
| 10560742 | 10.1016/s0960-894x(99)00541-7 | Trypsin II | 1 |
Data from ChEMBL 36 via Core Engine